2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-ethyl-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-ethyl-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[[4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-ethyl-acetamide CAS Name: 2-[[4-cyclopropyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-N-ethyl-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-ethylacetamide Traditional Name: N-benzyl-2-[[4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-N-ethyl-acetamide Formula: C21H23N5OS MolecularWeight: 393.50522

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=CC=C1)C(=O)CSC2=NN=C(N2C3CC3)C4=CN=CC=C4

Isomeric SMILES

CCN(CC1=CC=CC=C1)C(=O)CSC2=NN=C(N2C3CC3)C4=CN=CC=C4

InChI

InChI=1S/C21H23N5OS/c1-2-25(14-16-7-4-3-5-8-16)19(27)15-28-21-24-23-20(26(21)18-10-11-18)17-9-6-12-22-13-17/h3-9,12-13,18H,2,10-11,14-15H2,1H3